(4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone

C22H26N4O3 — CID 131651496

IUPAC(4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone
SMILESCc1nc(N2CCOCC2)nc2c1COCC21CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C22H26N4O3/c1-16-18-13-29-15-22(19(18)24-21(23-16)25-9-11-28-12-10-25)7-8-26(14-22)20(27)17-5-3-2-4-6-17/h2-6H,7-15H2,1H3
InChIKeyBDASNAVZSAPSDD-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.94
Rot. Bonds2

About (4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone

(4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone (PubChem CID 131651496) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is (4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone
PubChem CID131651496
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name(4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone
SMILESCc1nc(N2CCOCC2)nc2c1COCC21CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C22H26N4O3/c1-16-18-13-29-15-22(19(18)24-21(23-16)25-9-11-28-12-10-25)7-8-26(14-22)20(27)17-5-3-2-4-6-17/h2-6H,7-15H2,1H3
InChIKeyBDASNAVZSAPSDD-UHFFFAOYSA-N
XLogP1.94
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone
CID 131656054
1'-[(2-fluorophenyl)methyl]-4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 131644843
4-methyl-1'-[(3-methylphenyl)methyl]-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 134075909
4-methyl-2-morpholin-4-yl-1'-(pyridin-3-ylmethyl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 131648726
1-(4-methyl-2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-2-phenylethanone
CID 131649052
3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one
CID 131653847
2-(furan-2-ylmethylamino)-N,4-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
CID 118739076
[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone
CID 131662281
[2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(furan-3-yl)methanone
CID 131651039
[2-(benzylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-4-ylmethanone
CID 131658966
[2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone
CID 133143248
[(8R)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-[(3S)-oxolan-3-yl]methanone
CID 124821921

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone?
The IUPAC name of (4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone (CID 131651496) is (4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone.
What is the SMILES notation for (4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone?
The canonical SMILES for (4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone is Cc1nc(N2CCOCC2)nc2c1COCC21CCN(C(=O)c2ccccc2)C1.
What is the InChIKey of (4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone?
The InChIKey is BDASNAVZSAPSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16-18-13-29-15-22(19(18)24-21(23-16)25-9-11-28-12-10-25)7-8-26(14-22)20(27)17-5-3-2-4-6-17/h2-6H,7-15H2,1H3.
What are the key properties of (4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone?
(4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone has a molecular weight of 394.48 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)-phenylmethanone is sourced from PubChem (CID 131651496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).